| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-21 00:05:24 UTC |
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| Update Date | 2025-03-21 18:29:00 UTC |
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| HMDB ID | HMDB0000761 |
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| Metabolite Identification |
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| DeepMet ID | DMID00075086 |
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| Name | Lithocholic acid |
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| Frequency | 39.4 |
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| Structure | |
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| Chemical Formula | C24H40O3 |
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| Molecular Mass | 376.2977 |
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| SMILES | CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
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| InChI Key | SMEROWZSTRWXGI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | steroids and steroid derivatives |
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| Subclass | bile acids, alcohols and derivatives |
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| Direct Parent | bile acids, alcohols and derivatives |
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| Geometric Descriptor | aliphatic homopolycyclic compounds |
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| Alternative Parents | 3-hydroxysteroidscarbonyl compoundscarboxylic acidscyclic alcohols and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acid3-hydroxysteroidhydroxysteroidcyclic alcoholcarboxylic acid derivativebile acid, alcohol, or derivativesaliphatic homopolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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